2-[2-[[[4-(1,1-Dimethylethyl)phenyl]methyl]methylamino]ethyl]-2,3-dihydro-4-methylpyrido[3,2-f]-1,4-oxazepine-5 (4H)-thione oxalate (HCID 21271462)

기본 정보

표준 SMILES: CN(CCC1CN(C)C(=S)c2cccnc2O1)Cc1ccc(C(C)(C)C)cc1.O=C(O)C(=O)O
InChIKey: UZPABVCKWPPSMO-UHFFFAOYSA-N
분자식: C25H33N3O5S
평균 분자량: 487.6 g/mol

이름 및 식별자

우선 이름: 2-[2-[[[4-(1,1-Dimethylethyl)phenyl]methyl]methylamino]ethyl]-2,3-dihydro-4-methylpyrido[3,2-f]-1,4-oxazepine-5 (4H)-thione oxalate
IUPAC: 2-[2-[(4-tert-butylphenyl)methyl-methylamino]ethyl]-4-methyl-2,3-dihydropyrido[3,2-f][1,4]oxazepine-5-thione;oxalic acid

이름 및 동의어

SCHEMBL10565257UZPABVCKWPPSMO-UHFFFAOYSA-N2-[2-[[[4-(1,1-Dimethylethyl)phenyl]methyl]methylamino]ethyl]-2,3-dihydro-4-methylpyrido[3,2-f]-1,4-oxazepine-5 (4H)-thione oxalate2-[2-[[[4-(1,1-Dimethylethyl)phenyl]methyl]methylamino]ethyl]-2,3-dihydro-4-methylpyrido[3,2-f]-1,4-oxazepine-5(4H)-thione oxalate

데이터베이스 식별자

PubChem CID: 21271462

물성

구조 계산 물성

극성 표면적: 135 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 8
회전 가능 결합 수: 7
무거운 원자 수: 34
형식 전하: 0
복잡도: 584

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