5-n-Butyl-2-[5-(N-n-butylcarbamoyl)-2-chlorophenyl]-4-[[2'-[N-(2-chlorobenzoyl)sulfamoyl]biphenyl-4-yl]methyl]-2,4-dihydro-3H-1,2,4-triazol-3one
기본 정보
- 표준 SMILES
CCCCNC(=O)c1ccc(Cl)c(-n2nc(CCCC)n(Cc3ccc(-c4ccccc4S(=O)(=O)NC(=O)c4ccccc4Cl)cc3)c2=O)c1- InChIKey
DDRMQVVVNMEVAD-UHFFFAOYSA-N- 분자식
- C37H37Cl2N5O5S
- 평균 분자량
- 734.7 g/mol
이름 및 식별자
- 우선 이름
- 5-n-Butyl-2-[5-(N-n-butylcarbamoyl)-2-chlorophenyl]-4-[[2'-[N-(2-chlorobenzoyl)sulfamoyl]biphenyl-4-yl]methyl]-2,4-dihydro-3H-1,2,4-triazol-3one
- IUPAC
- N-butyl-3-[3-butyl-4-[[4-[2-[(2-chlorobenzoyl)sulfamoyl]phenyl]phenyl]methyl]-5-oxo-1,2,4-triazol-1-yl]-4-chlorobenzamide
이름 및 동의어
CHEMBL338101SCHEMBL9145435DDRMQVVVNMEVAD-UHFFFAOYSA-NBDBM500307315-n-Butyl-2-[5-(N-n-butylcarbamoyl)-2-chlorophenyl]-4-[[2'-[N-(2-chlorobenzoyl)sulfamoyl]biphenyl-4-yl]methyl]-2,4-dihydro-3H-1,2,4-triazol-3oneN-Butyl-3-{3-butyl-4-[2''-(2-chloro-benzoylsulfamoyl)-biphenyl-4-ylmethyl]-5-oxo-4,5-dihydro-[1,2,4]triazol-1-yl}-4-chloro-benzamide
데이터베이스 식별자
- PubChem CID
- 10485116
- ChEMBL
CHEMBL338101- Nikkaji
- J628.175C
물성
구조 계산 물성
- XLogP
- 7.8
- 극성 표면적
- 137 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 14
- 무거운 원자 수
- 50
- 형식 전하
- 0
- 복잡도
- 1,300
관련 반응
1건
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