ethyl 4-({3-[(4-cyclohexylphenoxy)methyl]-4-methyl-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-1-yl}methyl)piperazine-1-carboxylate
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기본 정보
- CAS
312281-91-7- 표준 SMILES
CCOC(=O)N1CCN(Cn2nc(COc3ccc(C4CCCCC4)cc3)n(C)c2=S)CC1- InChIKey
MUMAXPAMRAAINK-UHFFFAOYSA-N- 분자식
- C24H35N5O3S
- 평균 분자량
- 473.6 g/mol
- 단동위원소 질량
- 473.24606117
이름 및 식별자
- 우선 이름
- ethyl 4-({3-[(4-cyclohexylphenoxy)methyl]-4-methyl-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-1-yl}methyl)piperazine-1-carboxylate
- IUPAC
- ethyl 4-[[3-[(4-cyclohexylphenoxy)methyl]-4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]piperazine-1-carboxylate
- 영어명
- ethyl 4-({3-[(4-cyclohexylphenoxy)methyl]-4-methyl-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-1-yl}methyl)-1-piperazinecarboxylate
- 분자식
- C24H35N5O3S
- 분자량
- 473.6314
이름 및 동의어
ethyl 4-({3-[(4-cyclohexylphenoxy)methyl]-4-methyl-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-1-yl}methyl)piperazine-1-carboxylateethyl 4-((3-((4-cyclohexylphenoxy)methyl)-4-methyl-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-1-yl)methyl)piperazine-1-carboxylateOprea1_454066HMS1587B09STK733977AKOS001767431ethyl 4-[[3-[(4-cyclohexylphenoxy)methyl]-4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]piperazine-1-carboxylateAG-205/37153031312281-91-7ethyl 4-({3-[(4-cyclohexylphenoxy)methyl]-4-methyl-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-1-yl}methyl)-1-piperazinecarboxylate
데이터베이스 식별자
- CAS
312281-91-7- PubChem CID
- 1043168
물성
구조 계산 물성보충 중
- XLogP
- 4.6
- 극성 표면적
- 92.9 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 33
- 형식 전하
- 0
- 복잡도
- 698
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