[5-(3,5-dichlorophenyl)sulfanyl-4-isopropyl-1-(4-pyridylmethyl)imidazol-2-yl]methyl N-[(dibutylamino)methyl]carbamate (HCID 478199)

기본 정보

표준 SMILES: CCCCN(CCCC)CNC(=O)OCc1nc(C(C)C)c(Sc2cc(Cl)cc(Cl)c2)n1Cc1ccncc1
InChIKey: QWZCRTXZFVCFHN-UHFFFAOYSA-N
분자식: C29H39Cl2N5O2S
평균 분자량: 592.6 g/mol
단동위원소 질량: 591.2201521

이름 및 식별자

우선 이름: [5-(3,5-dichlorophenyl)sulfanyl-4-isopropyl-1-(4-pyridylmethyl)imidazol-2-yl]methyl N-[(dibutylamino)methyl]carbamate
IUPAC: [5-(3,5-dichlorophenyl)sulfanyl-4-propan-2-yl-1-(pyridin-4-ylmethyl)imidazol-2-yl]methyl N-[(dibutylamino)methyl]carbamate

이름 및 동의어

SCHEMBL6162166QWZCRTXZFVCFHN-UHFFFAOYSA-N[5-(3,5-dichlorophenyl)sulfanyl-4-isopropyl-1-(4-pyridylmethyl)imidazol-2-yl]methyl N-[(dibutylamino)methyl]carbamate5-(3,5-Dichlorophenylthio)-4-isopropyl-1-(4-pyridylmethyl)-1H-imidazol-2-ylmethyl di-n-butylaminomethylcarbamate5-(3,5-Dichlorophenylthio)-4-isopropyl-1-(4-pyridylmethyl)-1H-imidazol-2-ylmethyl-di-n-butylaminomethylcarbamate

데이터베이스 식별자

PubChem CID: 478199

물성

구조 계산 물성

XLogP: 7.5
극성 표면적: 97.6 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 6
회전 가능 결합 수: 16
무거운 원자 수: 39
형식 전하: 0
복잡도: 685

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